SCHEMBL27565697

SCHEMBL27565697

CC1=C(C2CCCCC2)CC=C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33
KDM4B O94953 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
DOHH Q9BU89 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
DAO P14920 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11045785 0.89
SCHEMBL1278527 0.76 NR1I2 (0.33) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL1278524 0.76 NR1I2 (0.33) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL1278521 0.76 NR1I2 (0.33) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL7934073 0.76 CYP11B2 (0.31)
SCHEMBL8162915 0.74
Hydrochloric Acid SCHEMBL8054501 0.72
SCHEMBL8218241 0.65 LMNA (0.31)
SCHEMBL216231 0.65
SCHEMBL6739413 0.63

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1217685-A VULCANIZED MOLDING HAVING SURFACE DECORATIVE LAYER, PAINTED THERMOPLASTIC RESIN COMPOSITION AND PAINTED ELASTOMER COMPOSITION MITSUI CHEMICALS INC (JP) 1999-05-26 CN disclosed